Cas no 4583-55-5 (5-Bromo-2,3-dimethylindole)

5-Bromo-2,3-dimethylindole is a halogenated indole derivative characterized by its bromine substitution at the 5-position and methyl groups at the 2- and 3-positions. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its bromine moiety enhances reactivity for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the dimethyl substitution pattern influences steric and electronic properties. The compound's stability and well-defined structure make it suitable for precise modifications in heterocyclic chemistry. It is commonly utilized in research settings for the development of bioactive molecules and optoelectronic materials.
5-Bromo-2,3-dimethylindole structure
5-Bromo-2,3-dimethylindole structure
Product Name:5-Bromo-2,3-dimethylindole
CAS No:4583-55-5
MF:C10H10BrN
MW:224.097101688385
MDL:MFCD00850844
CID:837827
PubChem ID:354335724
Update Time:2025-05-20

5-Bromo-2,3-dimethylindole Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2,3-dimethyl-1H-indole
    • 5-Bromo-2,3-dimethylindole
    • 1H-Indole, 5-bromo-2,3-dimethyl-
    • 5-Bromo-2,3-dimethylindol
    • 2,3-Dimethyl-5-brom-indol;
    • 5-Bromo-2,3-dimethylindole;
    • 5-Brom-2,3-dimethyl-indol;
    • 5-bromo-2,3-dimethyl-indole;
    • IOGAIEWEHFPGNO-UHFFFAOYSA-N
    • 2,3-Dimethyl-5-bromo-1H-indole
    • 5-bromo-2,3-dimethyl-1H-indole;
    • STL428852
    • EBD437362
    • SC-9
    • CCG-340069
    • ALBB-030056
    • AKOS000283161
    • CHEMBL5194440
    • SCHEMBL410289
    • AC-26894
    • MFCD00850844
    • DTXSID30510046
    • AS-19043
    • B5272
    • AF-963/00523045
    • SY104933
    • CS-0153594
    • 4583-55-5
    • C75233
    • MDL: MFCD00850844
    • Inchi: 1S/C10H10BrN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
    • InChI Key: IOGAIEWEHFPGNO-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)C(C)=C(C)N2

Computed Properties

  • Exact Mass: 223.00000
  • Monoisotopic Mass: 222.99966g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 171
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 15.8
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.487
  • Melting Point: 136.0 to 140.0 deg-C
  • Refractive Index: 1.5923
  • PSA: 15.79000
  • LogP: 3.54720

5-Bromo-2,3-dimethylindole Security Information

5-Bromo-2,3-dimethylindole Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-Bromo-2,3-dimethylindole Production Method

5-Bromo-2,3-dimethylindole Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:4583-55-5)5-Bromo-2,3-dimethylindole
Order Number:sfd16184
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

Additional information on 5-Bromo-2,3-dimethylindole

Professional Introduction to 5-Bromo-2,3-dimethylindole (CAS No. 4583-55-5)

5-Bromo-2,3-dimethylindole, with the chemical formula C9H9BrN, is a significant compound in the field of pharmaceutical and biochemical research. This heterocyclic aromatic molecule has garnered considerable attention due to its versatile applications in drug discovery and material science. The compound's unique structural features, characterized by a bromine substituent at the 5-position and two methyl groups at the 2- and 3-positions of the indole ring, make it a valuable intermediate in synthetic chemistry.

The CAS No. 4583-55-5 of 5-Bromo-2,3-dimethylindole serves as a unique identifier for this chemical entity, ensuring precise classification and retrieval in scientific databases. This numbering system is essential for researchers to accurately reference and utilize the compound in their experiments. The indole core of this molecule is particularly noteworthy, as indole derivatives are widely recognized for their biological activity and potential therapeutic applications.

In recent years, 5-Bromo-2,3-dimethylindole has been extensively studied for its role in developing novel pharmaceutical agents. Its brominated structure allows for further functionalization, making it a crucial building block in organic synthesis. Researchers have leveraged this compound to create complex molecules with targeted biological effects. For instance, studies have demonstrated its utility in generating inhibitors for various enzymes and receptors implicated in metabolic disorders and inflammatory diseases.

One of the most compelling aspects of 5-Bromo-2,3-dimethylindole is its application in medicinal chemistry. The bromine atom at the 5-position provides a reactive site for cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in constructing biaryl structures found in many active pharmaceutical ingredients (APIs). These reactions enable the formation of diverse pharmacophores, enhancing the compound's potential as a precursor in drug development.

Recent advancements in computational chemistry have further highlighted the significance of 5-Bromo-2,3-dimethylindole. Molecular modeling studies have revealed that modifications to its structure can modulate its binding affinity to biological targets. This insight has guided researchers in designing derivatives with improved efficacy and reduced toxicity. Such computational approaches are increasingly integral to modern drug discovery pipelines, streamlining the identification of promising candidates for further experimental validation.

The synthesis of 5-Bromo-2,3-dimethylindole itself is an area of active investigation. Researchers have developed efficient methodologies for its preparation, often involving cyclization reactions followed by bromination and methylation steps. These synthetic routes are optimized to maximize yield and purity, ensuring that the compound meets the stringent requirements of industrial-scale production. The availability of high-quality starting materials like 5-Bromo-2,3-dimethylindole is crucial for advancing both academic research and industrial applications.

In addition to its pharmaceutical relevance, 5-Bromo-2,3-dimethylindole has shown promise in material science applications. Its ability to form stable complexes with metal ions makes it a candidate for use in catalysis and luminescent materials. These properties are being explored for developing novel sensors and optoelectronic devices, showcasing the broad utility of this versatile compound.

The future prospects of 5-Bromo-2,3-dimethylindole are bright, with ongoing research aimed at uncovering new applications and refining existing synthetic strategies. As our understanding of molecular interactions deepens, compounds like this will continue to play a pivotal role in innovation across multiple scientific disciplines. The collaborative efforts of chemists, biologists, and engineers will be essential in harnessing its full potential.

In conclusion,5-Bromo-2,3-dimethylindole (CAS No. 4583-55-5) stands as a cornerstone molecule in modern chemical research. Its unique structural attributes and reactivity make it indispensable in drug discovery and material science. As new methodologies emerge and our knowledge expands,5-Bromo-2,3-dimethylindole will undoubtedly remain at the forefront of scientific exploration.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:4583-55-5)5-Bromo-2,3-dimethylindole
sfd16184
Purity:99.9%
Quantity:200kg
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